cobaltous;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]ethyl] phosphate;cyanide

More details:

• Systematic name

  cobaltous;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]ethyl] phosphate;cyanide

• SMILES

  [Co+2].[C-]#N.O=C(N)C[C@@]3(C\2=C(\C1=N\[C@](C)([C@@](C)(CC(=O)N)[C@@H]1CCC(=O)N)[C@@H]5/N=C(/C(=C4\N=C(\C=C(/N/2)[C@H]3CCC(=O)N)C(C)(C)[C@@H]4CCC(=O)N)C)[C@@](C)([C@H]5CC(=O)N)CCC(=O)NC[C@H](OP([O-])(=O)O[C@@H]8[C@H](O[C@H](n7cnc6cc(c(cc67)C)C)[C@@H]8O)CO)C)C)C

• Std. InChi

  InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,71,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);;/q;-1;+2/p-1/b38-23-,50-32-,55-33-;;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

• Std. InChIKey

  KPAATGAXVZRVLG-IQAFVLEWSA-M

• Cite this record

  CSID:8052816, http://www.chemspider.com/Chemical-Structure.8052816.html (accessed 21:23, May 3, 2024)